orbital_charges     :real:2:4,7
  0.117780768622731E+001  0.100777770871285E+001  0.981235520677195E+000
  0.941605392844498E+000  0.117780768575378E+001  0.100777771166898E+001
  0.981235526526816E+000  0.941605398200843E+000  0.113678275457047E+001
  0.804810651842144E+000  0.990580345654533E+000  0.119131644126989E+001
  0.879315177427875E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.879315172532461E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.950513412013791E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.950513414076563E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000
forces              :real:2:3,7
  0.478710402274096E-005 -0.642651236426248E-006  0.235493283232986E-009
 -0.480798433638574E-005 -0.620628637676424E-006  0.233535294632875E-009
  0.640013206268295E-008  0.170321343277782E-004 -0.442160505942300E-008
 -0.644495028609415E-005 -0.219312958296691E-005 -0.402305180087634E-010
  0.645978024726990E-005 -0.220244725732122E-005 -0.393176157787914E-010
 -0.174917558219598E-009 -0.568557815257276E-005 -0.133221714058301E-004
 -0.174861926813010E-009 -0.568769946084069E-005  0.133262035304643E-004
mermin_energy       :real:0:
 -0.794000317014752E+001
end_coords          :real:2:3,7
 -0.123949362475332E+001  0.478214006891290E+000 -0.333600421661363E-009
  0.123949364610722E+001  0.478213984403551E+000 -0.315098555758205E-009
 -0.653731664680845E-008  0.301748422861619E+001  0.505943737577426E-008
 -0.298733985443883E+001 -0.567243527508493E+000  0.178457493851932E-010
  0.298733983932102E+001 -0.567243518059863E+000  0.166046960325764E-010
  0.203034275005273E-009  0.415497907771919E+001  0.173417425453225E+001
  0.202037804539099E-009  0.415497908149865E+001 -0.173417425906759E+001
